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| 1 | Immune response in COVID-19:addressing a pharmacological challenge by targeting pathways triggered by SARS-CoV-2显示文摘To date,no vaccines or effective drugs have been approved to prevent or treat COVID-19 and the current standard care relies on supportive treatments.Therefore,based on the fast and global spread of the virus,urgent investigations are warranted in order to develop preventive and therapeutic drugs.In this regard,treatments addressing the immunopathology of SARS-CoV-2 infection have become a major focus.Notably,while a rapid and well-coordinated immune response represents the first line of defense against viral infection,excessive inflammatory innate response and impaired adaptive host immune defense may lead to tissue damage both at the site of virus entry and at systemic level.Several studies highlight relevant changes occurring both in innate and adaptive immune system in COVID-19 patients.In particular,the massive cytokine and chemokine release,the so-called“cytokine storm”,clearly reflects a widespread uncontrolled dysregulation of the host immune defense.Although the prospective of counteracting cytokine storm is compelling,a major limitation relies on the limited understanding of the immune signaling pathways triggered by SARS-CoV-2 infection.The identification of signaling pathways altered during viral infections may help to unravel the most relevant molecular cascades implicated in biological processes mediating viral infections and to unveil key molecular players that may be targeted.Thus,given the key role of the immune system in COVID-19,a deeper understanding of the mechanism behind the immune dysregulation might give us clues for the clinical management of the severe cases and for preventing the transition from mild to severe stages. | Michele Catanzaro Francesca Fagiani Marco Racchi Emanuela Corsini Stefano Govoni Cristina Lanni | 2020 | Signal Transduction and Targeted Therapy2020，5，1： | 11 |
| 2 | Quantum simulations of materials on near-term quantum computers显示文摘Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials;however,at present they only permit ab initio calculations of a few atoms,due to a limited number of qubits.In order to harness the power of near-term quantum computers for simulations of larger systems,it is desirable to develop hybrid quantum-classical methods where the quantum computation is restricted to a small portion of the system.This is of particular relevance for molecules and solids where an active region requires a higher level of theoretical accuracy than its environment.Here,we present a quantum embedding theory for the calculation of strongly-correlated electronic states of active regions,with the rest of the system described within density functional theory.We demonstrate the accuracy and effectiveness of the approach by investigating several defect quantum bits in semiconductors that are of great interest for quantum information technologies.We perform calculations on quantum computers and show that they yield results in agreement with those obtained with exact diagonalization on classical architectures,paving the way to simulations of realistic materials on near-term quantum computers. | He Ma Marco Govoni Giulia Galli | 2020 | npj Computational Materials2020，，1： | 3 |
| 3 | Strategies Affording Prevascularized Cell-Based Constructs for Myocardial Tissue Engineering显示文摘 | Claudio Muscari Emanuele Giordano Francesca Bonafè Marco Govoni Carlo Guarnieri Leonard M. Eisenberg | 2014 | Stem Cells International2014，，： | 1 |
| 4 | Molecular regulations of circadian rhythm and implications for physiology and diseases显示文摘The term'circadian rhythms'describes endogenous oscillations with ca.24-h period associated with the earth’s daily rotation and light/dark cycle.Such rhythms reflect the existence of an intrinsic circadian clock that temporally orchestrates physiological processes to adapt the internal environment with the external cues. | Francesca Fagiani Daniele Di Marino Alice Romagnoli Cristina Travelli Davide Voltan Lorenzo Di Cesare Mannelli Marco Racchi Stefano Govoni Cristina Lanni | 2022 | Signal Transduction and Targeted Therapy2022，7，3： | 1 |
| 5 | Autophagy Is Modulated in Human Neuroblastoma Cells Through Direct Exposition to Low Frequency Electromagnetic Fields显示文摘 | Nicoletta Marchesi Cecilia Osera Lorenzo Fassina Marialaura Amadio Francesca Angeletti Martina Morini Giovanni Magenes Letizia Venturini Marco Biggiogera Giovanni Ricevuti Stefano Govoni Salvatore Caorsi Alessia Pascale Sergio Comincini | 2014 | J. Cell. Physiol2014，，11： | 1 |
| 6 | Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond显示文摘A comprehensive description of the optical cycle of spin defects in solids requires the understanding of the electronic and atomistic structure of states with different spin multiplicity,including singlet states which are particularly challenging from a theoretical standpoint.We present a general framework,based on spin-flip time-dependent density function theory,to determine the excited state potential energy surfaces of the many-body singlet states of spin defects;we then predict the vibrationally resolved absorption spectrum between singlet shelving states of a prototypical defect,the nitrogen-vacancy center in diamond.Our results,which are in very good agreement with experiments,provide an interpretation of the measured spectra and reveal the key role of specific phonons in determining absorption processes,and the notable influence of non-adiabatic interactions.The insights gained from our calculations may be useful in defining strategies to improve infrared-absorption-based magnetometry and optical pumping schemes.The theoretical framework developed here is general and applicable to a variety of other spin defects and materials. | Yu Jin Marco Govoni Giulia Galli | 2022 | npj Computational Materials2022，，1： | 0 |
| 7 | Code interoperability extends the scope of quantum simulations显示文摘The functionality of many materials is critically dependent on the integration of dissimilar components and on the interfaces that arise between them.The description of such heterogeneous components requires the development and deployment of first principles methods,coupled to appropriate dynamical descriptions of matter and advanced sampling techniques,in order to capture all the relevant length and time scales of importance to the materials’performance.It is thus essential to build simple,streamlined computational schemes for the prediction and design of multiple properties of broad classes of materials,by developing interoperable codes which can be efficiently coupled to each other to perform complex tasks.We discuss the use of interoperable codes to simulate the structural and spectroscopic characterization of materials,including chemical reactions for catalysis,the description of defects for quantum information science,and heat and charge transport. | Marco Govoni Jonathan Whitmer Juan de Pablo Francois Gygi Giulia Galli | 2021 | npj Computational Materials2021，，1： | 0 |
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